SCHEMBL7802537

SCHEMBL7802537

COC=C(Oc1ccc(F)cc1C(=O)OCC(=O)c1ccc(C)cc1)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLF10 Q13118 1/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7795871 0.88 NPC1 (0.55) KLF10NPC1RAB9AALDH1A1MAPT
SCHEMBL7795874 0.88 NPC1 (0.55) KLF10NPC1RAB9AALDH1A1MAPT
SCHEMBL7801090 0.85 NPC1 (0.52) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL7801087 0.85 NPC1 (0.52) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL7795845 0.81 SMN1; SMN2 (0.42) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL7795848 0.81 SMN1; SMN2 (0.42) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL7795956 0.80 NPC1 (0.52) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL7795952 0.80 NPC1 (0.52) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL7806058 0.79 HPGD (0.43) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL7806056 0.79 HPGD (0.43) NPC1RAB9AALDH1A1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097117-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2001-05-09 EP disclosed
WO-2000003975-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2000-01-27 WO disclosed